2-methyl-N-propan-2-yl-3-(3-propoxyphenyl)prop-2-en-1-amine

C16H25NO — CID 79340094

IUPAC2-methyl-N-propan-2-yl-3-(3-propoxyphenyl)prop-2-en-1-amine
SMILESCCCOc1cccc(C=C(C)CNC(C)C)c1
InChIInChI=1S/C16H25NO/c1-5-9-18-16-8-6-7-15(11-16)10-14(4)12-17-13(2)3/h6-8,10-11,13,17H,5,9,12H2,1-4H3
InChIKeyLMRJBZQCKQHDJR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.88
Rot. Bonds7

About 2-methyl-N-propan-2-yl-3-(3-propoxyphenyl)prop-2-en-1-amine

2-methyl-N-propan-2-yl-3-(3-propoxyphenyl)prop-2-en-1-amine (PubChem CID 79340094) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-3-(3-propoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-3-(3-propoxyphenyl)prop-2-en-1-amine
PubChem CID79340094
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-methyl-N-propan-2-yl-3-(3-propoxyphenyl)prop-2-en-1-amine
SMILESCCCOc1cccc(C=C(C)CNC(C)C)c1
InChIInChI=1S/C16H25NO/c1-5-9-18-16-8-6-7-15(11-16)10-14(4)12-17-13(2)3/h6-8,10-11,13,17H,5,9,12H2,1-4H3
InChIKeyLMRJBZQCKQHDJR-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine
CID 79339427
(E)-4-(3-propoxyphenyl)but-3-en-2-ol
CID 103971300
3-(3-ethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79340193
3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79341319
1-[2-(bromomethyl)but-1-enyl]-3-propoxybenzene
CID 79322140
N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine
CID 79340694
1-[(Z)-2-nitroprop-1-enyl]-3-propoxybenzene
CID 21160899
3-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340088
propan-2-yl 3-(3-propoxyphenyl)prop-2-enoate
CID 130331837
N-(2-methoxyethyl)-2-[(3-propoxyphenyl)methylidene]butan-1-amine
CID 79339046
1-(2-nitrobut-1-enyl)-3-propoxybenzene
CID 76945194
4-(3-propoxyphenyl)but-3-enal
CID 170482159

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-3-(3-propoxyphenyl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-propan-2-yl-3-(3-propoxyphenyl)prop-2-en-1-amine (CID 79340094) is 2-methyl-N-propan-2-yl-3-(3-propoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-propan-2-yl-3-(3-propoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-propan-2-yl-3-(3-propoxyphenyl)prop-2-en-1-amine is CCCOc1cccc(C=C(C)CNC(C)C)c1.
What is the InChIKey of 2-methyl-N-propan-2-yl-3-(3-propoxyphenyl)prop-2-en-1-amine?
The InChIKey is LMRJBZQCKQHDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-9-18-16-8-6-7-15(11-16)10-14(4)12-17-13(2)3/h6-8,10-11,13,17H,5,9,12H2,1-4H3.
What are the key properties of 2-methyl-N-propan-2-yl-3-(3-propoxyphenyl)prop-2-en-1-amine?
2-methyl-N-propan-2-yl-3-(3-propoxyphenyl)prop-2-en-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-3-(3-propoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 79340094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).